Tribenozid

Tribenozid

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	10310-32-4^Y
ATC kod	C05AX05 (WHO) C05CX01
PubChem	CID 25145
UNII	Z7N0Y673NU^Y
ChEMBL	CHEMBL1446743^Y
Sinonimi	(3R,4R,5R)-4-(benzyloxy)-5-[1,2-bis(benzyloxy)ethyl]-2-ethoxyoxolan-3-ol
Hemijski podaci
Formula	C29H34O6
Molarna masa	478,577
SMILES CCOC1O[C@H](C(COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O
InChI InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25?,26-,27-,28-,29?/m1/s1^Y Key:ULLNJSBQMBKOJH-NUZMXOBKSA-N^Y

Tribenozid je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 478,577 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	13
Particioni koeficijent[1] (ALogP)	4,2
Rastvorljivost[2] (logS, log(mol/L))	-6,8
Polarna površina[3] (PSA, Å^2)	66,4

Reference

1. Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. 
2. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t. 
3. Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

• Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
• Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

• Tribenoside

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